[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate

C16H11ClN2O4 — CID 7210519

IUPAC[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H11ClN2O4/c17-11-5-6-14(18-8-11)19-15(20)9-22-16(21)13-7-10-3-1-2-4-12(10)23-13/h1-8H,9H2,(H,18,19,20)
InChIKeyVDQQYJRCWXNLML-UHFFFAOYSA-N
MW330.73 g/mol
LogP3.28
Rot. Bonds4

About [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate (PubChem CID 7210519) has the molecular formula C16H11ClN2O4 and a molecular weight of 330.73 g/mol. Its IUPAC name is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate
PubChem CID7210519
Molecular FormulaC16H11ClN2O4
Molecular Weight330.73 g/mol
Exact Mass330.04
IUPAC Name[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H11ClN2O4/c17-11-5-6-14(18-8-11)19-15(20)9-22-16(21)13-7-10-3-1-2-4-12(10)23-13/h1-8H,9H2,(H,18,19,20)
InChIKeyVDQQYJRCWXNLML-UHFFFAOYSA-N
XLogP3.28
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-chloroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 16503047
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193993
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-chlorobenzoate
CID 2479152
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2079261
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate
CID 23773548
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 7873014
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-benzofuran-2-carboxylate
CID 7193975
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193609
[2-(2,4-difluoroanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193994
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2660962
[2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194046
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dichlorobenzoate
CID 2617414

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate (CID 7210519) is [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate is O=C(COC(=O)c1cc2ccccc2o1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate?
The InChIKey is VDQQYJRCWXNLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O4/c17-11-5-6-14(18-8-11)19-15(20)9-22-16(21)13-7-10-3-1-2-4-12(10)23-13/h1-8H,9H2,(H,18,19,20).
What are the key properties of [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate?
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate has a molecular weight of 330.73 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7210519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).